[Wien] error in x optic -so

mitra narimani m.narimani84 at gmail.com
Sat Dec 27 12:08:55 CET 2014


  ,Dear all
  I calculated the band strucure and DOS of two half Heusler compounds(
LuPdBi ,ScPdBi). There wasnt any problem about these calculations in
present of spin orbit interaction.For optical properties I calulated x lapw
2 -fermi -so and this step was without any error but, in x optic -so -p
this error apears. please help me
Commandline: *x optic -p -so -c*
Program input is: *""*

   running OPTIC in parallel mode
[1] 21499
[2] 21521
 OPTIC END

real	0m1.008s
user	0m0.989s
sys	0m0.018s
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
opticc             000000000041D4E7  outmat_                    76  outmat.f
opticc             000000000042F668  mom_mat_                  642  sph-UP_tmp.f
opticc             000000000041C167  MAIN__                    453  opmain.f
opticc             000000000040336C  Unknown               Unknown  Unknown
libc.so.6          0000003B2C81EE5D  Unknown               Unknown  Unknown
opticc             0000000000403269  Unknown               Unknown  Unknown

real	0m0.920s
user	0m0.912s
sys	0m0.008s
[2]  - Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1] 21545
[2] 21580
 OPTIC END

real	0m1.011s
user	0m0.994s
sys	0m0.016s
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
opticc             000000000041D4E7  outmat_                    76  outmat.f
opticc             000000000042F668  mom_mat_                  642  sph-UP_tmp.f
opticc             000000000041C167  MAIN__                    453  opmain.f
opticc             000000000040336C  Unknown               Unknown  Unknown
libc.so.6          0000003B2C81EE5D  Unknown               Unknown  Unknown
opticc             0000000000403269  Unknown               Unknown  Unknown

real	0m0.172s
user	0m0.168s
sys	0m0.004s
[2]  - Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1] 21604
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
opticc             000000000041D4E7  outmat_                    76  outmat.f
opticc             000000000042F668  mom_mat_                  642  sph-UP_tmp.f
opticc             000000000041C167  MAIN__                    453  opmain.f
opticc             000000000040336C  Unknown               Unknown  Unknown
libc.so.6          0000003B2C81EE5D  Unknown               Unknown  Unknown
opticc             0000000000403269  Unknown               Unknown  Unknown

real	0m0.618s
user	0m0.604s
sys	0m0.015s
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1] 21645
[2] 21667
 OPTIC END

real	0m1.003s
user	0m0.984s
sys	0m0.017s
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
opticc             000000000041D4E7  outmat_                    76  outmat.f
opticc             000000000042F668  mom_mat_                  642  sph-UP_tmp.f
opticc             000000000041C167  MAIN__                    453  opmain.f
opticc             000000000040336C  Unknown               Unknown  Unknown
libc.so.6          0000003B2C81EE5D  Unknown               Unknown  Unknown
opticc             0000000000403269  Unknown               Unknown  Unknown

real	0m0.282s
user	0m0.276s
sys	0m0.006s
[2]  - Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1] 21691
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
opticc             000000000041D4E7  outmat_                    76  outmat.f
opticc             000000000042F668  mom_mat_                  642  sph-UP_tmp.f
opticc             000000000041C167  MAIN__                    453  opmain.f
opticc             000000000040336C  Unknown               Unknown  Unknown
libc.so.6          0000003B2C81EE5D  Unknown               Unknown  Unknown
opticc             0000000000403269  Unknown               Unknown  Unknown

real	0m0.185s
user	0m0.180s
sys	0m0.004s
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
[1] 21714
 OPTIC END

real	0m0.071s
user	0m0.066s
sys	0m0.005s
[1]  + Done                          ( $remote $machine[$p] "cd
$PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" )
>> .timeop_$loop
**  OPTIC crashed!
0.128u 0.196s 0:09.26 3.3%	0+0k 0+1024io 0pf+0w
error: command   /usr/local/codes/v13.1/opticcpara -c -so optic.def   failed


 ,Thank you
 Mitra Narimani
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